SCHEMBL2875718

SCHEMBL2875718

Cc1ccsc1N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.47
HTR7 P34969 2/20 0.42
HTR2C P28335 4/20 0.41
HTR3A P46098 4/20 0.40
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
SIGMAR1 Q99720 1/20 0.39
HTR1A P08908 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7923474 0.98 ADRB1 (0.46) ADRB1HTR7HTR2CHTR3AHTR3E
SCHEMBL9024972 0.82 L3MBTL1 (0.42)
Bromide SCHEMBL7296632 0.80 L3MBTL1 (0.41)
SCHEMBL13322698 0.78 POLB (0.42) ADRB1HTR7HTR2CHTR3AHTR3E
SCHEMBL13354917 0.77 HTR2C (0.41) ADRB1HTR2CHTR3AHTR3EHTR3B
SCHEMBL336258 0.73 ADRB1 (0.52) ADRB1HTR7HTR2CHTR3AHTR3E
SCHEMBL11377242 0.70 HRH1 (0.48)
SCHEMBL21775839 0.69 ADRB1 (0.47) ADRB1HTR7HTR2CHTR3AHTR3E
SCHEMBL7827205 0.68 TAAR1 (0.49) ADRB1HTR2CHTR3AHTR3EHTR3B
SCHEMBL15219304 0.68 ADRB1 (0.42) ADRB1HTR7HTR3AHTR3EHTR3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074873-A 7- (morpholinyl) -2- (N-piperazinyl) methylthioeno [2, 3-c ] pyridine derivatives as anticancer agents 纳科法尔马有限公司 2017-08-18 CN disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
EP-1531822-B1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX INC (US) 2009-08-05 EP disclosed
US-7449576-B1 potent antagonists of the CCR1 receptor; inflammation; (5-Chloro-2-piperazin-1-yl-phenyl)-phenyl-methanone CHEMOCENTRYX, INC. (US) 2008-11-11 US disclosed
US-20080261987-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2008-10-23 US disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
EP-1531822-A1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS Chemocentryx, Inc. (US) 2005-05-25 EP disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 US disclosed
US-20040082571-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2004-04-29 US disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 WO disclosed
US-6221868-B1 Remedies/preventives for frequent urination/urinary incontinence and tropone derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-04-24 US disclosed
EP-0995741-A1 REMEDIES/PREVENTIVES FOR FREQUENT URINATION/URINARY INCONTINENCE AND TROPONE DERIVATIVES Nippon Kayaku Kabushiki Kaisha (JP) 2000-04-26 EP disclosed
EP-0333137-A1 Arylpiperazinylalkoxy derivatives of cyclic imides, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-09-20 EP disclosed
US-4826846-A ANALGESIC, ANTIPSYCHOTIC HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-05-02 US disclosed
US-4780466-A ANALGESICS, ANTIPSYCHOTIC AGENTS, ANXIOLYTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-10-25 US disclosed
US-4267328-A USEFUL AS ANALGESICS OR PSYCHOTROPIC AGENTS SYNTHELABO (FR) 1981-05-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080261987-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 ADRB1 294/4885HTR7 559/4885HTR2C 547/4885
US-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 ADRB1 294/4885HTR7 559/4885HTR2C 547/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 ADRB1 230/4885HTR7 461/4885HTR2C 547/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 ADRB1 294/4885HTR7 559/4885HTR2C 547/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 ADRB1 230/4885HTR7 461/4885HTR2C 547/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.